methyl 4,5-dihydro-1H-furo[2,3-g]indazole-7-carboxylate

C11H10N2O3 — CID 175787334

IUPACmethyl 4,5-dihydro-1H-furo[2,3-g]indazole-7-carboxylate
SMILESCOC(=O)c1cc2c(o1)CCc1cn[nH]c1-2
InChIInChI=1S/C11H10N2O3/c1-15-11(14)9-4-7-8(16-9)3-2-6-5-12-13-10(6)7/h4-5H,2-3H2,1H3,(H,12,13)
InChIKeyDMIZDUPBKLVVIQ-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.55
Rot. Bonds1

About methyl 4,5-dihydro-1H-furo[2,3-g]indazole-7-carboxylate

methyl 4,5-dihydro-1H-furo[2,3-g]indazole-7-carboxylate (PubChem CID 175787334) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is methyl 4,5-dihydro-1H-furo[2,3-g]indazole-7-carboxylate.

Molecular Properties

Compound Namemethyl 4,5-dihydro-1H-furo[2,3-g]indazole-7-carboxylate
PubChem CID175787334
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Namemethyl 4,5-dihydro-1H-furo[2,3-g]indazole-7-carboxylate
SMILESCOC(=O)c1cc2c(o1)CCc1cn[nH]c1-2
InChIInChI=1S/C11H10N2O3/c1-15-11(14)9-4-7-8(16-9)3-2-6-5-12-13-10(6)7/h4-5H,2-3H2,1H3,(H,12,13)
InChIKeyDMIZDUPBKLVVIQ-UHFFFAOYSA-N
XLogP1.55
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4,5-dihydro-1H-furo[2,3-g]indazole-7-carboxylate?
The IUPAC name of methyl 4,5-dihydro-1H-furo[2,3-g]indazole-7-carboxylate (CID 175787334) is methyl 4,5-dihydro-1H-furo[2,3-g]indazole-7-carboxylate.
What is the SMILES notation for methyl 4,5-dihydro-1H-furo[2,3-g]indazole-7-carboxylate?
The canonical SMILES for methyl 4,5-dihydro-1H-furo[2,3-g]indazole-7-carboxylate is COC(=O)c1cc2c(o1)CCc1cn[nH]c1-2.
What is the InChIKey of methyl 4,5-dihydro-1H-furo[2,3-g]indazole-7-carboxylate?
The InChIKey is DMIZDUPBKLVVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-15-11(14)9-4-7-8(16-9)3-2-6-5-12-13-10(6)7/h4-5H,2-3H2,1H3,(H,12,13).
What are the key properties of methyl 4,5-dihydro-1H-furo[2,3-g]indazole-7-carboxylate?
methyl 4,5-dihydro-1H-furo[2,3-g]indazole-7-carboxylate has a molecular weight of 218.21 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5-dihydro-1H-furo[2,3-g]indazole-7-carboxylate is sourced from PubChem (CID 175787334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).